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	hartrees
Energy at 0K	-214.508067
Energy at 298.15K
HF Energy	-213.940428
Nuclear repulsion energy	78.731369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3881	3881	50.56
2	A	3189	3189	26.75
3	A	3098	3098	50.15
4	A	1533	1533	2.28
5	A	1457	1457	39.22
6	A	1415	1415	14.34
7	A	1276	1276	6.90
8	A	1161	1161	153.59
9	A	1083	1083	103.50
10	A	1033	1033	117.19
11	A	542	542	29.59
12	A	376	376	112.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.015	0.515	0.047
F2	1.136	-0.313	-0.026
O3	-1.148	-0.218	-0.118
H4	0.068	1.018	1.026
H5	0.074	1.231	-0.782
H6	-1.274	-0.777	0.656

	C1	F2	O3	H4	H5	H6
C1		1.3963	1.3852	1.1014	1.0970	1.9240
F2	1.3963		2.2886	2.0051	2.0209	2.5478
O3	1.3852	2.2886		2.0782	2.0084	0.9629
H4	1.1014	2.0051	2.0782		1.8205	2.2721
H5	1.0970	2.0209	2.0084	1.8205		2.8134
H6	1.9240	2.5478	0.9629	2.2721	2.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	108.714	F2	C1	O3	110.724
F2	C1	H4	106.186	F2	C1	H5	107.692
O3	C1	H4	112.891	O3	C1	H5	107.454
H4	C1	H5	111.808

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: MP3/daug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: MP3/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)